Vitas-M small molecule compound

1-heptyl-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate

Catalog ID
STL050334
SMILES CCCCCCCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H29N3O3 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3/c1-4-5-6-7-8-11-24-19(26)21(18(25)22-20(24)27)13-16-12-15(2)9-10-17(16)23(3)14-21/h9-10,12H,4-8,11,13-14H2,1-3H3,(H,22,25,27)
InChIKey
ARHNFVYXILLAIQ-UHFFFAOYSA-N
Synonyms
862209-17-4
1HEPTYL16DIMETHYL14DIHYDRO2H2HSPIRO(PYRIMIDINE53QUINOLINE)246(1H3H)TRIONE
1heptyl16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1HEPTYL16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
862209174
CCCCCCCN1C(=O)C2(CC3=C(C=CC(=C3)C)(NH+)(C2)C)C(=O)N=C1(O)
CCCCCCCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1(NH+)(C2)C)(O)
InChI=1SC21H29N3O3c145678112419(26)21(18(25)2220(24)27)13161215(2)91017(16)23(3)1421h91012H48111314H213H3(H222527)
MFCD18249325
ZINC000001868905
ZINC000001868906

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Available files

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